(Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine

C26H34FN7O2 — CID 144711064

IUPAC(Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
SMILESC=NO/C(=C\CC1CC1)N/C(=C/C(=N\COc1ccc2[nH]c(C)cc2c1F)N1CCN(C)CC1)N=C
InChIInChI=1S/C26H34FN7O2/c1-18-15-20-21(31-18)8-9-22(26(20)27)35-17-30-24(34-13-11-33(4)12-14-34)16-23(28-2)32-25(36-29-3)10-7-19-5-6-19/h8-10,15-16,19,31-32H,2-3,5-7,11-14,17H2,1,4H3/b23-16+,25-10-,30-24+
InChIKeyHQXBTNZSILMNQY-IQZWJSRQSA-N
MW495.60 g/mol
LogP4.00
Rot. Bonds11

About (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine

(Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine (PubChem CID 144711064) has the molecular formula C26H34FN7O2 and a molecular weight of 495.60 g/mol. Its IUPAC name is (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
PubChem CID144711064
Molecular FormulaC26H34FN7O2
Molecular Weight495.60 g/mol
Exact Mass495.28
IUPAC Name(Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
SMILESC=NO/C(=C\CC1CC1)N/C(=C/C(=N\COc1ccc2[nH]c(C)cc2c1F)N1CCN(C)CC1)N=C
InChIInChI=1S/C26H34FN7O2/c1-18-15-20-21(31-18)8-9-22(26(20)27)35-17-30-24(34-13-11-33(4)12-14-34)16-23(28-2)32-25(36-29-3)10-7-19-5-6-19/h8-10,15-16,19,31-32H,2-3,5-7,11-14,17H2,1,4H3/b23-16+,25-10-,30-24+
InChIKeyHQXBTNZSILMNQY-IQZWJSRQSA-N
XLogP4.00
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z,3E)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-3-(4-fluoropiperidin-1-yl)-1-(methylideneamino)prop-1-enyl]-5-methyl-1H-pyrazol-3-amine
CID 144710963
N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-methyl-1H-pyrazol-3-amine
CID 144622326
N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-1H-pyrazol-5-amine
CID 144711089
N-[(Z,3E)-3-(azetidin-1-yl)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine
CID 144711191
N-[(Z,3E)-3-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-enyl]-5-propan-2-yl-1H-pyrazol-3-amine
CID 144711056
(Z,3E)-N-[[(Z)-1-cyclobutyl-2-(methylideneamino)ethenyl]sulfanylmethyl]-3-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
CID 144710950
N-[(Z,3E)-3-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-enyl]-5-[(E)-prop-1-enyl]-1H-pyrazol-3-amine;ethane
CID 144622121
N-[(Z,3E)-3-[(4-fluoro-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-pyrrolidin-1-ylprop-1-enyl]-5-methyl-1H-pyrazol-3-amine
CID 144711205
5-[(E)-but-2-enyl]-N-[(Z,3E)-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(2-methylpiperazin-1-yl)prop-1-enyl]-1H-pyrazol-3-amine
CID 144622269
N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-5-methyl-1H-pyrazol-3-amine
CID 144622368
N-[(Z,3E)-3-[(6-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-enyl]-3-propan-2-yl-1,2-oxazol-5-amine
CID 144711119
3-N-[(Z,3E)-3-[(4-chloro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-phenylpiperazin-1-yl)prop-1-enyl]-1H-pyrazole-3,5-diamine;fluoromethane
CID 144711160

Frequently Asked Questions

What is the IUPAC name of (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The IUPAC name of (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine (CID 144711064) is (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine.
What is the SMILES notation for (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The canonical SMILES for (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine is C=NO/C(=C\CC1CC1)N/C(=C/C(=N\COc1ccc2[nH]c(C)cc2c1F)N1CCN(C)CC1)N=C.
What is the InChIKey of (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
The InChIKey is HQXBTNZSILMNQY-IQZWJSRQSA-N. The full InChI is InChI=1S/C26H34FN7O2/c1-18-15-20-21(31-18)8-9-22(26(20)27)35-17-30-24(34-13-11-33(4)12-14-34)16-23(28-2)32-25(36-29-3)10-7-19-5-6-19/h8-10,15-16,19,31-32H,2-3,5-7,11-14,17H2,1,4H3/b23-16+,25-10-,30-24+.
What are the key properties of (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine?
(Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine has a molecular weight of 495.60 g/mol, XLogP of 4.00, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3E)-N-[(Z)-3-cyclopropyl-1-(methylideneamino)oxyprop-1-enyl]-3-[(4-fluoro-2-methyl-1H-indol-5-yl)oxymethylimino]-1-(methylideneamino)-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 144711064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).